2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H24N4OS/c25-20(16-24-10-5-15-26-18-7-2-1-6-17(18)24)23-13-11-22(12-14-23)19-8-3-4-9-21-19/h1-4,6-9H,5,10-16H2/p+1